N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide

C19H20N4O5S — CID 25438288

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N4O5S/c1-27-17-5-3-14(11-18(17)29(25,26)23-6-8-28-9-7-23)22-19(24)13-2-4-15-16(10-13)21-12-20-15/h2-5,10-12H,6-9H2,1H3,(H,20,21)(H,22,24)
InChIKeyJQTWZULSMPRSFU-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.84
Rot. Bonds5

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 25438288) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID25438288
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N4O5S/c1-27-17-5-3-14(11-18(17)29(25,26)23-6-8-28-9-7-23)22-19(24)13-2-4-15-16(10-13)21-12-20-15/h2-5,10-12H,6-9H2,1H3,(H,20,21)(H,22,24)
InChIKeyJQTWZULSMPRSFU-UHFFFAOYSA-N
XLogP1.84
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 30747968
4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
CID 26174414
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
5-[[4-(2-methoxyethoxy)benzoyl]amino]-2-[(E)-2-[4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 22629000
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide (CID 25438288) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is JQTWZULSMPRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-27-17-5-3-14(11-18(17)29(25,26)23-6-8-28-9-7-23)22-19(24)13-2-4-15-16(10-13)21-12-20-15/h2-5,10-12H,6-9H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25438288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).